#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb n SER 2 N 0.00 -2.39 -4.19 1.61 2.88 -1.26 -4.93 113.62 105.34 2gsb n SER 2 Ca 0.00 -1.05 -0.33 0.00 -1.33 0.00 0.00 58.87 56.16 2gsb n SER 2 Cb 0.00 -2.63 -0.16 0.00 -0.75 0.00 0.00 64.21 60.67 2gsb n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2gsb s SER 3 N -3.54 3.33 0.00 -3.46 0.15 -1.26 -5.05 113.70 103.87 2gsb s SER 3 Ca 0.58 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2gsb s SER 3 Cb -0.32 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2gsb s SER 3 CO 0.94 0.06 0.00 0.61 1.20 0.00 0.00 173.24 176.05 2gsb n GLY 4 N 4.21 1.67 3.00 9.45 0.00 -1.26 -5.03 105.19 117.23 2gsb n GLY 4 Ca -0.20 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 2gsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gsb n SER 5 N 0.00 -5.93 -4.55 1.61 7.64 -1.26 -4.84 113.62 106.29 2gsb n SER 5 Ca 0.00 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 2gsb n SER 5 Cb 0.00 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 2gsb n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2gsb s SER 6 N -1.01 6.44 -0.16 6.43 1.04 -1.26 -5.00 113.70 120.17 2gsb s SER 6 Ca 0.40 -0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.54 2gsb s SER 6 Cb -0.17 -2.38 0.08 0.00 0.10 0.00 0.00 66.02 63.65 2gsb s SER 6 CO 0.82 -0.86 0.77 -0.83 0.98 0.00 0.00 173.24 174.12 2gsb s GLY 7 N 2.06 -0.48 -0.34 7.32 0.00 -1.26 -5.13 107.32 109.48 2gsb s GLY 7 Ca 0.30 1.79 -0.01 0.00 0.00 0.00 0.00 44.72 46.79 2gsb s GLY 7 CO 0.21 1.32 0.08 0.50 0.00 0.00 0.00 173.10 175.21 2gsb s ARG 8 N -0.52 2.16 1.36 2.90 0.52 -1.26 -5.10 118.95 119.01 2gsb s ARG 8 Ca -0.05 -1.54 -0.22 0.00 -0.52 0.00 0.00 55.73 53.41 2gsb s ARG 8 Cb -0.02 -3.33 0.35 0.00 0.52 0.00 0.00 34.95 32.47 2gsb s ARG 8 CO 0.04 -0.82 0.98 -1.83 0.02 0.00 0.00 175.30 173.69 2gsb s GLU 9 N 1.17 -2.47 -0.32 3.54 -1.05 -1.26 -5.00 118.70 113.31 2gsb s GLU 9 Ca 0.01 0.12 -0.07 0.00 -0.15 0.00 0.00 54.97 54.89 2gsb s GLU 9 Cb -0.21 -1.43 0.03 0.00 -0.44 0.00 0.00 34.13 32.08 2gsb s GLU 9 CO -0.03 -4.57 0.10 -1.21 0.95 0.00 0.00 175.26 170.50 2gsb s GLU 10 N -5.12 2.82 0.09 -4.83 2.02 -1.26 -5.09 118.70 107.33 2gsb s GLU 10 Ca 0.69 -1.05 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 2gsb s GLU 10 Cb -0.13 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 2gsb s GLU 10 CO 0.58 -0.58 0.48 -0.51 0.02 0.00 0.00 175.26 175.25 2gsb s ASP 11 N 1.45 6.78 0.11 -0.19 1.01 -1.26 -5.01 116.67 119.56 2gsb s ASP 11 Ca 0.00 0.98 -0.14 0.00 0.71 0.00 0.00 52.55 54.10 2gsb s ASP 11 Cb -0.19 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.42 2gsb s ASP 11 CO 0.03 0.18 1.43 1.55 0.21 0.00 0.00 175.17 178.57 2gsb h PRO 12 N 3.87 0.76 0.00 8.23 0.13 -1.98 -2.93 132.00 140.08 2gsb h PRO 12 Ca -0.49 -0.40 -0.00 0.00 -0.87 0.00 0.00 66.00 64.23 2gsb h PRO 12 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gsb h PRO 12 CO 0.65 1.03 -0.01 1.25 -0.23 0.00 0.00 178.00 180.69 2gsb h HIS 13 N 0.52 0.00 -0.32 1.56 2.76 -2.01 0.14 115.15 117.80 2gsb h HIS 13 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2gsb h HIS 13 Cb 0.89 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2gsb h HIS 13 CO 0.07 0.01 0.00 0.39 -1.30 0.00 0.00 177.93 177.10 2gsb n GLU 14 N -3.27 2.09 -2.64 5.26 -0.58 -1.11 -4.19 120.64 116.19 2gsb n GLU 14 Ca -0.03 -1.66 -0.08 0.00 -0.42 0.00 0.00 57.16 54.98 2gsb n GLU 14 Cb 0.10 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 29.58 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gsb n GLY 15 N 1.29 2.73 3.91 0.62 0.00 0.47 -4.90 105.19 109.31 2gsb n GLY 15 Ca 0.17 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 2gsb n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gsb s LYS 16 N -3.58 3.61 0.26 1.61 -0.14 -1.22 -5.00 119.74 115.28 2gsb s LYS 16 Ca 0.32 -0.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.88 2gsb s LYS 16 Cb 0.38 -2.67 0.34 0.00 -1.68 0.00 0.00 37.83 34.20 2gsb s LYS 16 CO -0.02 0.23 1.69 0.97 -0.76 0.00 0.00 175.35 177.46 2gsb h ILE 17 N 1.31 1.27 0.04 2.17 6.09 -1.95 -3.05 117.51 123.40 2gsb h ILE 17 Ca -0.48 -1.33 -0.26 0.00 -1.37 0.00 0.00 64.86 61.43 2gsb h ILE 17 Cb 1.19 1.36 -0.03 0.00 0.47 0.00 0.00 36.82 39.81 2gsb h ILE 17 CO 0.66 0.42 -1.31 4.11 -3.07 0.00 0.00 178.15 178.97 2gsb h TRP 18 N 0.47 0.15 -4.01 2.19 5.08 -1.90 -3.39 115.95 114.54 2gsb h TRP 18 Ca 0.06 -0.11 -0.49 0.00 1.08 0.00 0.00 58.89 59.43 2gsb h TRP 18 Cb 0.71 -0.01 0.04 0.00 -3.00 0.00 0.00 29.16 26.91 2gsb h TRP 18 CO 0.03 1.11 0.44 0.12 -1.28 0.00 0.00 178.44 178.86 2gsb s PHE 19 N -2.66 2.99 -0.25 0.12 5.36 -1.15 -1.76 117.98 120.63 2gsb s PHE 19 Ca -0.03 1.58 -0.02 0.00 -0.96 0.00 0.00 56.93 57.50 2gsb s PHE 19 Cb 0.09 -3.25 0.13 0.00 -0.34 0.00 0.00 43.02 39.65 2gsb s PHE 19 CO 0.83 -1.14 0.32 -1.01 -1.46 0.00 0.00 175.22 172.76 2gsb s HIS 20 N -1.67 -0.62 -0.09 10.12 3.76 -0.86 -4.63 115.29 121.30 2gsb s HIS 20 Ca 0.63 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.90 2gsb s HIS 20 Cb -0.24 -0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.20 2gsb s HIS 20 CO 0.29 -0.79 0.13 0.41 -0.85 0.00 0.00 174.74 173.94 2gsb n GLY 21 N 5.34 0.59 0.12 -2.22 0.00 -1.26 -4.43 105.19 103.34 2gsb n GLY 21 Ca -0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2gsb n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gsb h LYS 22 N 0.04 0.29 0.00 1.61 2.10 -1.96 -3.47 116.57 115.18 2gsb h LYS 22 Ca 0.00 -0.50 -0.24 0.00 -2.00 0.00 0.00 60.65 57.92 2gsb h LYS 22 Cb 0.04 0.18 0.11 0.00 -0.90 0.00 0.00 32.23 31.67 2gsb h LYS 22 CO 0.00 1.24 0.12 0.44 -2.00 0.00 0.00 179.45 179.25 2gsb n ILE 23 N -4.00 0.00 -4.54 0.07 -5.35 -1.26 -5.09 119.36 99.20 2gsb n ILE 23 Ca -0.19 -0.36 -0.26 0.00 -0.27 0.00 0.00 62.75 61.67 2gsb n ILE 23 Cb 0.88 -1.29 -0.10 0.00 -1.74 0.00 0.00 39.64 37.39 2gsb n ILE 23 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2gsb s SER 24 N -3.41 3.67 0.12 7.28 0.15 -1.26 -5.02 113.70 115.23 2gsb s SER 24 Ca 0.42 -1.20 -0.33 0.00 0.70 0.00 0.00 55.95 55.54 2gsb s SER 24 Cb -0.03 -0.34 -0.12 0.00 -1.71 0.00 0.00 66.02 63.82 2gsb s SER 24 CO 0.32 -0.21 1.55 0.50 1.20 0.00 0.00 173.24 176.60 2gsb h LYS 25 N 2.04 -0.49 -0.35 5.44 3.64 -1.98 -0.62 116.57 124.25 2gsb h LYS 25 Ca -0.42 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2gsb h LYS 25 Cb 1.25 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2gsb h LYS 25 CO 0.70 -0.33 -0.54 0.37 -2.27 0.00 0.00 179.45 177.38 2gsb h GLN 26 N -0.51 -0.40 -0.78 1.90 4.15 -2.01 -0.43 115.11 117.03 2gsb h GLN 26 Ca 0.05 0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.68 2gsb h GLN 26 Cb 0.65 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 28.30 2gsb h GLN 26 CO -0.50 -0.27 0.10 0.93 -1.93 0.00 0.00 178.83 177.16 2gsb h GLU 27 N -0.41 0.16 -0.84 1.69 3.07 -1.85 1.00 114.58 117.38 2gsb h GLU 27 Ca 0.06 -0.01 0.21 0.00 -0.50 0.00 0.00 59.36 59.13 2gsb h GLU 27 Cb 0.59 -0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 28.32 2gsb h GLU 27 CO -0.55 0.10 0.14 0.00 -1.40 0.00 0.00 179.01 177.30 2gsb h ALA 28 N 1.71 1.10 -0.61 3.43 0.00 0.51 0.29 119.26 125.69 2gsb h ALA 28 Ca 0.45 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.66 2gsb h ALA 28 Cb 0.82 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2gsb h ALA 28 CO -0.63 -0.46 0.31 1.88 0.00 0.00 0.00 179.25 180.35 2gsb h TYR 29 N 0.16 0.56 -0.22 0.00 0.05 -0.59 -2.27 116.97 114.65 2gsb h TYR 29 Ca 0.51 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.26 2gsb h TYR 29 Cb 0.98 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2gsb h TYR 29 CO -0.34 0.25 -0.05 -0.97 -1.05 0.00 0.00 178.16 176.00 2gsb h ASN 30 N 0.57 0.43 -0.14 3.88 -1.24 -0.49 -2.68 115.58 115.92 2gsb h ASN 30 Ca 0.28 -0.37 0.02 0.00 0.71 0.00 0.00 56.30 56.95 2gsb h ASN 30 Cb 0.21 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 2gsb h ASN 30 CO -0.20 0.70 -0.37 -0.07 -1.29 0.00 0.00 177.43 176.20 2gsb h LEU 31 N 0.16 -1.18 -0.45 0.34 3.38 -0.44 0.54 115.31 117.66 2gsb h LEU 31 Ca 0.06 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gsb h LEU 31 Cb 0.51 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2gsb h LEU 31 CO 0.02 -0.31 0.00 0.18 0.09 0.00 0.00 178.44 178.42 2gsb n LEU 32 N -4.48 0.20 0.02 1.67 4.77 -0.90 0.10 117.00 118.39 2gsb n LEU 32 Ca -0.04 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2gsb n LEU 32 Cb 0.25 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2gsb n LEU 32 CO 0.04 -0.60 -0.01 0.23 -1.33 0.00 0.00 177.39 175.72 2gsb n MET 33 N -1.76 0.26 0.00 3.23 2.81 0.15 -3.68 117.12 118.13 2gsb n MET 33 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2gsb n MET 33 Cb 0.04 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 2gsb n MET 33 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2gsb n THR 34 N -1.91 0.00 0.29 2.03 -2.24 0.11 -4.84 114.28 107.72 2gsb n THR 34 Ca 0.02 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.96 2gsb n THR 34 Cb 0.43 -0.50 0.84 0.00 -2.10 0.00 0.00 70.33 69.00 2gsb n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsb h VAL 35 N 0.00 0.31 -0.94 2.28 -1.51 -0.53 -3.44 116.25 112.42 2gsb h VAL 35 Ca 0.00 -0.38 -0.55 0.00 -1.23 0.00 0.00 66.70 64.54 2gsb h VAL 35 Cb 0.00 1.29 -0.04 0.00 -2.13 0.00 0.00 31.29 30.41 2gsb h VAL 35 CO 0.00 0.06 -0.32 -0.83 -1.23 0.00 0.00 177.57 175.25 2gsb s GLY 36 N -4.18 2.25 0.20 5.19 0.00 0.11 -4.78 107.32 106.11 2gsb s GLY 36 Ca -0.03 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.12 2gsb s GLY 36 CO 0.53 -1.85 0.25 0.61 0.00 0.00 0.00 173.10 172.64 2gsb n GLN 37 N -1.70 0.36 0.00 2.90 10.64 -1.24 -4.40 117.38 123.94 2gsb n GLN 37 Ca 0.01 -1.75 0.04 0.00 -1.83 0.00 0.00 57.00 53.48 2gsb n GLN 37 Cb 0.63 1.60 0.24 0.00 -0.86 0.00 0.00 30.24 31.85 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2gsb n VAL 38 N -0.35 0.57 -1.60 -0.39 0.31 -1.26 -1.63 118.33 113.98 2gsb n VAL 38 Ca 0.02 0.14 0.06 0.00 -0.01 0.00 0.00 64.34 64.55 2gsb n VAL 38 Cb 0.35 -1.00 0.21 0.00 -0.91 0.00 0.00 33.84 32.49 2gsb n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsb s SER 40 N -3.23 -0.13 0.32 0.00 0.01 -0.64 -2.73 113.70 107.30 2gsb s SER 40 Ca 0.38 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.82 2gsb s SER 40 Cb 0.37 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.90 2gsb s SER 40 CO -0.07 -0.24 0.12 0.72 0.41 0.00 0.00 173.24 174.19 2gsb s PHE 41 N -0.64 1.70 -0.27 2.43 -0.71 -1.25 -3.61 117.98 115.63 2gsb s PHE 41 Ca -0.07 -1.24 -0.24 0.00 -1.04 0.00 0.00 56.93 54.34 2gsb s PHE 41 Cb -0.04 -1.02 0.07 0.00 -1.21 0.00 0.00 43.02 40.82 2gsb s PHE 41 CO 0.01 -0.34 0.71 -0.48 -1.34 0.00 0.00 175.22 173.79 2gsb s LEU 42 N -3.44 -0.77 0.09 -1.99 0.05 -0.82 -1.42 118.68 110.38 2gsb s LEU 42 Ca 0.33 1.46 -0.04 0.00 0.05 0.00 0.00 54.13 55.93 2gsb s LEU 42 Cb 0.06 2.45 -0.05 0.00 -2.05 0.00 0.00 46.19 46.60 2gsb s LEU 42 CO 0.16 -0.25 0.31 -0.69 -0.55 0.00 0.00 176.35 175.33 2gsb s VAL 43 N 0.55 5.25 -0.16 1.48 1.01 -0.72 -1.26 120.40 126.55 2gsb s VAL 43 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2gsb s VAL 43 Cb -0.05 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.76 2gsb s VAL 43 CO -0.02 0.16 0.42 -0.60 0.00 0.00 0.00 175.10 175.06 2gsb s ARG 44 N -2.36 0.49 0.03 2.72 3.52 -1.17 -2.04 118.95 120.13 2gsb s ARG 44 Ca 0.36 0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 56.26 2gsb s ARG 44 Cb -0.13 0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 33.43 2gsb s ARG 44 CO 0.23 -0.07 1.43 -1.25 -0.81 0.00 0.00 175.30 174.83 2gsb s PRO 45 N 0.30 4.28 0.82 5.12 0.04 -1.26 -2.89 135.00 141.41 2gsb s PRO 45 Ca -0.01 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 2gsb s PRO 45 Cb -0.03 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 31.20 2gsb s PRO 45 CO -0.00 -0.56 0.46 0.45 0.04 0.00 0.00 177.00 177.38 2gsb n SER 46 N 5.13 -3.08 0.00 6.66 2.88 0.50 -4.97 113.62 120.73 2gsb n SER 46 Ca 0.13 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 2gsb n SER 46 Cb 0.43 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2gsb n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gsb n ASP 47 N -3.97 0.00 0.12 -3.46 8.00 -1.26 -4.85 116.55 111.13 2gsb n ASP 47 Ca 0.07 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.52 2gsb n ASP 47 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2gsb n ASP 47 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2gsb h ASN 48 N 0.00 -0.36 -1.45 -2.24 4.21 -1.97 -3.44 115.58 110.33 2gsb h ASN 48 Ca 0.00 0.02 -0.43 0.00 1.21 0.00 0.00 56.30 57.10 2gsb h ASN 48 Cb 0.00 0.11 0.14 0.00 -1.12 0.00 0.00 38.32 37.45 2gsb h ASN 48 CO 0.00 -0.22 -0.93 0.35 -1.29 0.00 0.00 177.43 175.34 2gsb n THR 49 N -3.12 0.00 -2.04 2.81 -2.24 -1.26 -4.62 114.28 103.81 2gsb n THR 49 Ca -0.04 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.09 2gsb n THR 49 Cb 0.15 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 2gsb n THR 49 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2gsb n PRO 50 N 1.22 1.60 -3.68 -0.78 -0.04 -1.26 -3.91 135.00 128.14 2gsb n PRO 50 Ca 0.04 -2.45 -0.25 0.00 -0.04 0.00 0.00 63.50 60.80 2gsb n PRO 50 Cb 0.35 -3.71 0.06 0.00 -0.04 0.00 0.00 33.50 30.16 2gsb n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gsb n GLY 51 N 5.74 -0.50 3.96 0.55 0.00 -1.26 -4.99 105.19 108.69 2gsb n GLY 51 Ca 0.45 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.46 2gsb n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gsb s ASP 52 N -3.50 5.68 0.44 1.61 2.15 -1.25 -4.94 116.67 116.85 2gsb s ASP 52 Ca 0.51 0.20 0.06 0.00 0.43 0.00 0.00 52.55 53.75 2gsb s ASP 52 Cb -0.24 -1.35 -0.06 0.00 -0.30 0.00 0.00 42.92 40.98 2gsb s ASP 52 CO 0.77 -0.82 0.03 -0.31 -0.17 0.00 0.00 175.17 174.66 2gsb s TYR 53 N -2.61 2.37 -0.29 -5.34 1.51 -1.09 -0.37 117.35 111.52 2gsb s TYR 53 Ca 0.51 -0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 55.70 2gsb s TYR 53 Cb -0.10 -1.76 0.11 0.00 -0.11 0.00 0.00 41.96 40.10 2gsb s TYR 53 CO 0.38 0.36 0.76 -1.12 -1.11 0.00 0.00 175.55 174.82 2gsb s SER 54 N -3.78 -0.88 0.29 2.29 0.01 -1.14 -2.35 113.70 108.13 2gsb s SER 54 Ca 0.29 1.33 -0.17 0.00 1.31 0.00 0.00 55.95 58.71 2gsb s SER 54 Cb 0.07 1.63 -0.09 0.00 0.21 0.00 0.00 66.02 67.85 2gsb s SER 54 CO 0.15 -0.20 0.73 -0.22 0.41 0.00 0.00 173.24 174.11 2gsb s LEU 55 N 2.01 4.16 -0.26 2.44 0.20 -1.09 -3.07 118.68 123.08 2gsb s LEU 55 Ca -0.08 1.33 0.01 0.00 0.69 0.00 0.00 54.13 56.08 2gsb s LEU 55 Cb -0.07 -3.91 0.07 0.00 -0.43 0.00 0.00 46.19 41.86 2gsb s LEU 55 CO -0.19 -0.12 -0.03 -0.31 -0.29 0.00 0.00 176.35 175.41 2gsb s TYR 56 N -1.82 2.60 0.08 5.38 2.02 -0.39 -2.01 117.35 123.21 2gsb s TYR 56 Ca 0.50 -1.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.31 2gsb s TYR 56 Cb -0.12 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2gsb s TYR 56 CO 0.19 -0.82 -0.23 0.12 -1.57 0.00 0.00 175.55 173.24 2gsb s PHE 57 N 1.32 2.43 -0.13 2.71 5.36 -1.25 -1.94 117.98 126.47 2gsb s PHE 57 Ca -0.02 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.52 2gsb s PHE 57 Cb -0.19 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 2gsb s PHE 57 CO -0.08 0.27 0.18 0.50 -1.46 0.00 0.00 175.22 174.63 2gsb s ARG 58 N -1.70 3.77 0.32 10.12 6.06 -1.24 -0.61 118.95 135.68 2gsb s ARG 58 Ca 0.14 -0.08 0.03 0.00 -2.50 0.00 0.00 55.73 53.33 2gsb s ARG 58 Cb -0.10 -3.28 -0.06 0.00 0.06 0.00 0.00 34.95 31.57 2gsb s ARG 58 CO 0.06 0.58 0.06 0.95 -2.50 0.00 0.00 175.30 174.46 2gsb s THR 59 N -0.50 1.10 0.26 4.11 -4.23 -1.22 -4.21 115.64 110.95 2gsb s THR 59 Ca 0.14 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2gsb s THR 59 Cb -0.12 -2.77 0.25 0.00 1.34 0.00 0.00 72.50 71.19 2gsb s THR 59 CO 0.03 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.71 2gsb h ASN 60 N 2.15 0.79 0.16 3.99 -0.26 -1.99 -3.15 115.58 117.28 2gsb h ASN 60 Ca -0.40 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.38 2gsb h ASN 60 Cb 1.24 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 2gsb h ASN 60 CO 0.68 0.43 -0.08 -0.33 -1.06 0.00 0.00 177.43 177.08 2gsb h GLU 61 N 0.88 -0.21 -2.03 0.81 4.39 -2.02 -3.50 114.58 112.91 2gsb h GLU 61 Ca 0.45 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.35 2gsb h GLU 61 Cb 0.44 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 29.00 2gsb h GLU 61 CO -0.26 -0.14 0.60 0.54 -1.16 0.00 0.00 179.01 178.59 2gsb s ASN 62 N -4.07 -0.22 0.11 1.42 4.22 -1.19 -5.13 114.94 110.08 2gsb s ASN 62 Ca -0.03 -0.14 -0.31 0.00 -2.14 0.00 0.00 52.86 50.24 2gsb s ASN 62 Cb 0.00 0.34 -0.10 0.00 1.28 0.00 0.00 41.25 42.77 2gsb s ASN 62 CO 0.09 -0.58 1.87 -0.38 -2.04 0.00 0.00 177.10 176.06 2gsb n ILE 63 N -0.32 0.44 -2.28 0.54 5.41 -1.26 -3.44 119.36 118.44 2gsb n ILE 63 Ca -0.06 -0.08 -0.27 0.00 1.00 0.00 0.00 62.75 63.34 2gsb n ILE 63 Cb 0.61 -2.18 0.15 0.00 -0.71 0.00 0.00 39.64 37.51 2gsb n ILE 63 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gsb s GLN 64 N 3.02 1.18 -0.15 0.38 -0.21 0.22 -4.96 119.66 119.14 2gsb s GLN 64 Ca 0.83 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 2gsb s GLN 64 Cb -0.46 -2.10 0.07 0.00 1.00 0.00 0.00 33.01 31.52 2gsb s GLN 64 CO 0.38 -1.91 0.21 0.50 -2.12 0.00 0.00 175.29 172.34 2gsb s ARG 65 N -5.50 0.13 0.17 2.91 3.52 -1.26 -3.87 118.95 115.05 2gsb s ARG 65 Ca 0.70 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 56.75 2gsb s ARG 65 Cb -0.04 -0.72 -0.03 0.00 -1.56 0.00 0.00 34.95 32.59 2gsb s ARG 65 CO 0.48 -0.48 0.26 -0.06 -0.81 0.00 0.00 175.30 174.69 2gsb s PHE 66 N 2.33 3.38 -0.17 5.12 0.40 -0.85 -4.97 117.98 123.21 2gsb s PHE 66 Ca 0.04 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2gsb s PHE 66 Cb -0.14 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.81 2gsb s PHE 66 CO -0.09 0.51 -0.20 -1.59 0.70 0.00 0.00 175.22 174.54 2gsb s LYS 67 N -3.35 2.98 -0.23 0.44 -2.85 -1.26 -2.66 119.74 112.81 2gsb s LYS 67 Ca 0.34 -0.83 -0.03 0.00 -1.00 0.00 0.00 55.97 54.45 2gsb s LYS 67 Cb -0.10 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 2gsb s LYS 67 CO 0.27 -0.18 -0.06 0.42 0.10 0.00 0.00 175.35 175.90 2gsb s ILE 68 N 1.23 3.14 -0.04 3.79 1.01 -0.99 -4.62 121.20 124.71 2gsb s ILE 68 Ca 0.03 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2gsb s ILE 68 Cb -0.13 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2gsb s ILE 68 CO -0.11 0.37 -0.05 0.00 0.00 0.00 0.00 174.94 175.14 2gsb s PRO 70 N -1.13 1.17 0.01 0.00 0.04 -1.26 -0.80 135.00 133.03 2gsb s PRO 70 Ca 0.15 0.78 0.01 0.00 0.04 0.00 0.00 61.00 61.98 2gsb s PRO 70 Cb -0.11 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2gsb s PRO 70 CO 0.05 -2.29 -0.04 0.95 0.04 0.00 0.00 177.00 175.71 2gsb s THR 71 N -2.94 0.24 -2.00 1.26 -4.23 -1.04 -4.75 115.64 102.18 2gsb s THR 71 Ca 0.64 -0.57 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2gsb s THR 71 Cb -0.18 -0.29 0.35 0.00 1.34 0.00 0.00 72.50 73.72 2gsb s THR 71 CO 0.57 -0.21 1.16 -0.81 -0.54 0.00 0.00 174.62 174.79 2gsb n PRO 72 N 2.24 0.49 -0.75 3.99 -0.04 -1.26 -2.35 135.00 137.31 2gsb n PRO 72 Ca -0.18 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2gsb n PRO 72 Cb 0.57 -1.40 0.37 0.00 -0.04 0.00 0.00 33.50 33.01 2gsb n PRO 72 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2gsb n ASN 73 N -0.90 5.20 -2.30 3.54 2.85 -1.26 -4.91 115.26 117.48 2gsb n ASN 73 Ca 0.09 -2.75 -0.18 0.00 -0.11 0.00 0.00 54.58 51.64 2gsb n ASN 73 Cb 0.04 -0.63 0.02 0.00 1.24 0.00 0.00 39.78 40.45 2gsb n ASN 73 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2gsb n ASN 74 N 0.72 -5.19 -3.63 1.20 5.15 -0.99 -5.00 115.26 107.52 2gsb n ASN 74 Ca 0.26 -0.16 -0.23 0.00 -0.60 0.00 0.00 54.58 53.86 2gsb n ASN 74 Cb 1.05 -4.12 -0.06 0.00 -0.53 0.00 0.00 39.78 36.12 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gsb n GLN 75 N -3.15 0.62 -4.60 1.20 6.02 -1.25 -4.62 117.38 111.61 2gsb n GLN 75 Ca -0.13 -3.08 -0.24 0.00 -0.01 0.00 0.00 57.00 53.53 2gsb n GLN 75 Cb 0.62 1.66 -0.16 0.00 1.02 0.00 0.00 30.24 33.37 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsb s PHE 76 N -2.91 1.44 -0.25 1.08 0.40 0.21 -2.49 117.98 115.46 2gsb s PHE 76 Ca 0.18 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.88 2gsb s PHE 76 Cb 0.01 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 2gsb s PHE 76 CO 0.13 -0.24 0.29 -1.64 0.70 0.00 0.00 175.22 174.45 2gsb s MET 77 N 0.51 4.05 -0.06 0.44 -1.94 0.02 -1.54 119.30 120.79 2gsb s MET 77 Ca -0.12 -0.08 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 2gsb s MET 77 Cb -0.14 -3.60 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 2gsb s MET 77 CO 0.03 -0.12 -0.20 -0.12 -0.01 0.00 0.00 175.02 174.61 2gsb n MET 78 N 4.82 0.30 -3.18 2.03 1.56 -1.25 -1.40 117.12 119.99 2gsb n MET 78 Ca -0.11 0.12 -0.18 0.00 -0.27 0.00 0.00 57.70 57.25 2gsb n MET 78 Cb 0.51 -1.02 -0.03 0.00 2.15 0.00 0.00 33.22 34.83 2gsb n MET 78 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gsb n GLY 79 N 2.35 3.54 1.97 -5.12 0.00 -1.26 -4.66 105.19 102.01 2gsb n GLY 79 Ca -0.08 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2gsb n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsb n GLY 80 N 0.33 0.39 3.27 -0.02 0.00 -1.26 -5.05 105.19 102.85 2gsb n GLY 80 Ca 0.25 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2gsb n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 81 N -3.34 1.66 -0.05 1.61 3.00 -1.26 -5.17 118.95 115.40 2gsb s ARG 81 Ca 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 55.73 53.80 2gsb s ARG 81 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 34.95 35.26 2gsb s ARG 81 CO 0.00 -0.60 -0.09 0.71 0.00 0.00 0.00 175.30 175.32 2gsb s TYR 82 N -3.57 1.11 -0.03 -0.53 2.02 -1.26 -3.87 117.35 111.21 2gsb s TYR 82 Ca 0.40 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 2gsb s TYR 82 Cb 0.03 -0.85 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2gsb s TYR 82 CO 0.25 -0.21 -0.06 0.71 -1.57 0.00 0.00 175.55 174.67 2gsb s TYR 83 N 0.65 0.74 0.16 2.71 1.51 -0.59 -4.87 117.35 117.67 2gsb s TYR 83 Ca -0.11 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 2gsb s TYR 83 Cb -0.14 -0.61 0.06 0.00 -0.11 0.00 0.00 41.96 41.16 2gsb s TYR 83 CO 0.02 -0.14 1.34 -1.71 -1.11 0.00 0.00 175.55 173.94 2gsb n ASN 84 N 3.72 -0.76 -3.80 2.29 4.05 -1.26 0.68 115.26 120.18 2gsb n ASN 84 Ca -0.22 1.53 -0.10 0.00 0.45 0.00 0.00 54.58 56.24 2gsb n ASN 84 Cb 0.52 -0.26 -0.06 0.00 1.23 0.00 0.00 39.78 41.21 2gsb n ASN 84 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2gsb s SER 85 N -5.38 -0.04 0.24 1.20 0.15 -1.26 -4.25 113.70 104.36 2gsb s SER 85 Ca -0.11 -0.58 -0.09 0.00 0.70 0.00 0.00 55.95 55.86 2gsb s SER 85 Cb 0.13 0.43 0.38 0.00 -1.71 0.00 0.00 66.02 65.25 2gsb s SER 85 CO 0.57 -0.84 1.62 0.40 1.20 0.00 0.00 173.24 176.19 2gsb h ILE 86 N 2.53 0.28 -0.96 6.45 2.04 -1.96 0.12 117.51 126.01 2gsb h ILE 86 Ca -0.33 -0.01 0.24 0.00 1.00 0.00 0.00 64.86 65.75 2gsb h ILE 86 Cb 1.23 0.23 -0.18 0.00 -0.74 0.00 0.00 36.82 37.37 2gsb h ILE 86 CO 0.50 0.01 -0.05 1.23 0.00 0.00 0.00 178.15 179.84 2gsb h GLY 87 N 0.04 1.05 0.84 5.37 0.00 -1.98 -0.36 103.07 108.04 2gsb h GLY 87 Ca 0.39 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 2gsb h GLY 87 CO -0.73 -0.45 -0.27 -1.80 0.00 0.00 0.00 176.54 173.29 2gsb h ASP 88 N 0.02 -0.64 -1.12 0.19 3.58 -1.37 -2.86 116.42 114.20 2gsb h ASP 88 Ca 0.54 -0.03 0.40 0.00 0.42 0.00 0.00 57.03 58.36 2gsb h ASP 88 Cb 1.03 0.17 -0.13 0.00 1.72 0.00 0.00 39.33 42.12 2gsb h ASP 88 CO -0.91 -0.35 0.70 -0.38 -2.88 0.00 0.00 179.24 175.43 2gsb n ILE 89 N -5.35 -0.24 0.02 2.25 5.41 -0.18 -0.94 119.36 120.32 2gsb n ILE 89 Ca -0.12 1.59 -0.01 0.00 1.00 0.00 0.00 62.75 65.21 2gsb n ILE 89 Cb 0.33 -2.60 -0.00 0.00 -0.71 0.00 0.00 39.64 36.66 2gsb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gsb h ILE 90 N 0.00 0.00 -1.11 1.39 2.04 -1.25 -2.07 117.51 116.52 2gsb h ILE 90 Ca 0.75 -0.04 0.41 0.00 1.00 0.00 0.00 64.86 66.98 2gsb h ILE 90 Cb 2.34 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 38.26 2gsb h ILE 90 CO -0.45 0.00 0.65 0.44 0.00 0.00 0.00 178.15 178.79 2gsb h ASP 91 N -0.09 0.33 -0.26 1.72 5.19 -0.96 0.90 116.42 123.25 2gsb h ASP 91 Ca -0.00 0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 2gsb h ASP 91 Cb 0.04 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2gsb h ASP 91 CO 0.01 -0.31 -0.07 -0.74 -3.12 0.00 0.00 179.24 175.00 2gsb h HIS 92 N 0.08 0.58 -0.43 4.55 2.76 -1.10 -3.12 115.15 118.47 2gsb h HIS 92 Ca 0.83 -0.13 -0.10 0.00 -2.20 0.00 0.00 60.37 58.77 2gsb h HIS 92 Cb 2.28 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 31.08 2gsb h HIS 92 CO -0.01 0.73 -0.14 1.88 -1.30 0.00 0.00 177.93 179.09 2gsb h TYR 93 N 0.26 0.89 -0.97 5.26 0.05 0.14 -2.53 116.97 120.07 2gsb h TYR 93 Ca 0.07 -0.18 0.28 0.00 0.05 0.00 0.00 58.73 58.95 2gsb h TYR 93 Cb 0.55 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 2gsb h TYR 93 CO 0.05 0.89 0.76 0.00 -1.05 0.00 0.00 178.16 178.81 2gsb h ARG 94 N 0.72 0.00 0.00 4.88 3.08 -0.52 0.73 114.38 123.26 2gsb h ARG 94 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2gsb h ARG 94 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2gsb h ARG 94 CO 0.04 0.00 -1.59 1.63 -1.07 0.00 0.00 179.97 178.99 2gsb n LYS 95 N -4.05 0.44 -4.01 0.04 5.02 -1.03 -4.67 118.16 109.91 2gsb n LYS 95 Ca 0.20 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 2gsb n LYS 95 Cb 1.09 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 34.40 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gsb s GLU 96 N -3.34 2.20 -0.40 1.97 0.41 0.25 -5.07 118.70 114.72 2gsb s GLU 96 Ca -0.02 -0.58 -0.42 0.00 -0.41 0.00 0.00 54.97 53.54 2gsb s GLU 96 Cb 0.14 -2.12 -0.17 0.00 -1.78 0.00 0.00 34.13 30.20 2gsb s GLU 96 CO 0.88 -0.27 1.91 0.00 -0.49 0.00 0.00 175.26 177.29 2gsb n GLN 97 N 4.77 0.56 0.20 1.61 10.64 -1.25 -4.48 117.38 129.43 2gsb n GLN 97 Ca -0.16 0.19 0.08 0.00 -1.83 0.00 0.00 57.00 55.27 2gsb n GLN 97 Cb 0.49 -1.87 0.33 0.00 -0.86 0.00 0.00 30.24 28.33 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 2gsb h ILE 98 N 6.04 0.64 -4.61 -0.39 2.10 -1.69 -3.46 117.51 116.14 2gsb h ILE 98 Ca -0.32 -1.41 -0.33 0.00 1.08 0.00 0.00 64.86 63.88 2gsb h ILE 98 Cb 1.36 1.94 -0.06 0.00 -1.09 0.00 0.00 36.82 38.97 2gsb h ILE 98 CO 1.01 0.29 -0.23 0.52 -1.08 0.00 0.00 178.15 178.66 2gsb n VAL 99 N -3.36 0.00 -0.37 2.19 0.31 -1.19 -5.01 118.33 110.91 2gsb n VAL 99 Ca 0.01 -1.21 -0.04 0.00 -0.01 0.00 0.00 64.34 63.08 2gsb n VAL 99 Cb 0.51 0.17 0.01 0.00 -0.91 0.00 0.00 33.84 33.62 2gsb n VAL 99 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2gsb n GLU 100 N -0.73 1.21 0.00 5.55 0.28 -1.26 -3.99 120.64 121.70 2gsb n GLU 100 Ca -0.09 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.48 2gsb n GLU 100 Cb 0.33 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.03 2gsb n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gsb n GLY 101 N 1.02 0.00 3.26 -1.84 0.00 -1.26 -5.17 105.19 101.20 2gsb n GLY 101 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2gsb n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsb s TYR 102 N 0.00 -0.24 0.32 1.61 1.51 -1.26 -5.12 117.35 114.17 2gsb s TYR 102 Ca 0.00 0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.54 2gsb s TYR 102 Cb 0.00 0.12 -0.06 0.00 -0.11 0.00 0.00 41.96 41.91 2gsb s TYR 102 CO 0.00 -0.37 0.01 0.71 -1.11 0.00 0.00 175.55 174.79 2gsb s TYR 103 N -1.07 2.01 -0.92 2.71 1.51 -1.26 -2.43 117.35 117.90 2gsb s TYR 103 Ca -0.11 -0.84 -0.16 0.00 -1.01 0.00 0.00 57.07 54.95 2gsb s TYR 103 Cb -0.05 -1.27 0.18 0.00 -0.11 0.00 0.00 41.96 40.71 2gsb s TYR 103 CO 0.04 0.14 0.99 -0.51 -1.11 0.00 0.00 175.55 175.10 2gsb s LEU 104 N -3.49 5.89 0.01 -1.29 1.43 -1.26 -4.78 118.68 115.18 2gsb s LEU 104 Ca 0.34 -2.49 -0.16 0.00 -1.03 0.00 0.00 54.13 50.78 2gsb s LEU 104 Cb 0.07 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 2gsb s LEU 104 CO 0.14 -0.78 0.95 0.11 0.23 0.00 0.00 176.35 177.00 2gsb h LYS 105 N 8.12 -0.56 -2.52 1.70 1.79 -1.94 -3.43 116.57 119.73 2gsb h LYS 105 Ca 0.15 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.56 2gsb h LYS 105 Cb 1.01 0.13 -0.22 0.00 -1.58 0.00 0.00 32.23 31.57 2gsb h LYS 105 CO 0.95 -0.38 -0.11 -1.83 -1.08 0.00 0.00 179.45 177.01 2gsb s GLU 106 N -3.78 0.64 0.68 3.15 -1.05 -1.11 -5.08 118.70 112.14 2gsb s GLU 106 Ca -0.09 0.58 -0.14 0.00 -0.15 0.00 0.00 54.97 55.18 2gsb s GLU 106 Cb 0.01 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2gsb s GLU 106 CO 0.26 -0.10 1.11 -1.25 0.95 0.00 0.00 175.26 176.22 2gsb s PRO 107 N -0.00 2.71 0.02 -4.83 0.04 -1.26 -3.97 135.00 127.71 2gsb s PRO 107 Ca -0.02 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 2gsb s PRO 107 Cb -0.03 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2gsb s PRO 107 CO 0.02 -1.32 1.53 0.08 0.04 0.00 0.00 177.00 177.35 2gsb s VAL 108 N -2.42 3.42 0.64 -0.36 1.01 -0.50 -4.83 120.40 117.35 2gsb s VAL 108 Ca 0.66 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 2gsb s VAL 108 Cb -0.20 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2gsb s VAL 108 CO 0.44 -0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.48 2gsb s PRO 109 N 2.66 2.90 0.89 2.72 0.04 -1.26 -4.22 135.00 138.73 2gsb s PRO 109 Ca 0.69 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2gsb s PRO 109 Cb -0.35 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.40 2gsb s PRO 109 CO 0.29 -1.17 1.23 -1.64 0.04 0.00 0.00 177.00 175.75 2gsb s MET 110 N -3.95 1.05 -0.68 4.56 -1.94 -1.26 -5.03 119.30 112.05 2gsb s MET 110 Ca 0.68 -0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 54.20 2gsb s MET 110 Cb -0.21 -1.96 0.17 0.00 2.01 0.00 0.00 34.83 34.84 2gsb s MET 110 CO 0.39 -2.09 0.49 1.14 -0.01 0.00 0.00 175.02 174.94 2gsb s GLN 111 N -5.69 2.62 -0.05 2.03 0.00 -1.26 -5.07 119.66 112.23 2gsb s GLN 111 Ca 0.71 -2.84 -0.36 0.00 -0.00 0.00 0.00 55.36 52.87 2gsb s GLN 111 Cb -0.05 -3.67 -0.14 0.00 0.00 0.00 0.00 33.01 29.15 2gsb s GLN 111 CO 0.51 -1.20 1.69 -3.47 0.00 0.00 0.00 175.29 172.82 2gsb n ASP 112 N 2.94 2.80 -2.02 12.60 -0.08 -1.26 -4.81 116.55 126.72 2gsb n ASP 112 Ca 0.12 1.05 -0.10 0.00 -1.51 0.00 0.00 54.79 54.34 2gsb n ASP 112 Cb 0.36 -1.29 -0.15 0.00 2.34 0.00 0.00 41.12 42.38 2gsb n ASP 112 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2gsb n GLN 113 N 4.94 1.77 -4.44 -0.67 -0.06 -1.26 -4.84 117.38 112.82 2gsb n GLN 113 Ca 0.22 -0.87 -0.25 0.00 -2.00 0.00 0.00 57.00 54.10 2gsb n GLN 113 Cb 0.23 -1.91 -0.11 0.00 -4.06 0.00 0.00 30.24 24.39 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2gsb s SER 114 N 2.09 3.48 0.23 1.69 0.15 -1.26 -5.07 113.70 115.00 2gsb s SER 114 Ca 0.58 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2gsb s SER 114 Cb 0.28 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2gsb s SER 114 CO 0.00 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2gsb n GLY 115 N -0.23 -1.86 3.77 9.45 0.00 -1.26 -4.89 105.19 110.16 2gsb n GLY 115 Ca -0.08 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2gsb n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gsb s PRO 116 N -0.19 2.54 0.00 1.61 0.04 -1.26 -4.98 135.00 132.76 2gsb s PRO 116 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2gsb s PRO 116 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2gsb s PRO 116 CO 0.00 -1.44 0.23 -1.13 0.04 0.00 0.00 177.00 174.70 2gsb n SER 117 N -2.92 0.46 -3.51 6.66 3.41 -1.26 -4.87 113.62 111.58 2gsb n SER 117 Ca 0.10 -0.74 -0.27 0.00 -0.26 0.00 0.00 58.87 57.70 2gsb n SER 117 Cb 0.52 0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 2gsb n SER 117 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gsb n SER 118 N -0.36 0.85 0.00 4.04 2.88 -1.26 -5.27 113.62 114.49 2gsb n SER 118 Ca 0.00 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 2gsb n SER 118 Cb 0.03 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2gsb n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42